Interaction Scheme
Molecule
2-phenylethylamine hydrochloride
c = 1000.0 µM
Host
pCx4-OPr
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 145.0 | ± 29.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -12.34 | ± 0.5 | -2.95 | ± 0.12 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 200 mM deuterated phosphate pD-7.3 |
| Solvents | Deuterium Oxide | 100.0 % |
| Source of Concentration | ||
| Total concentration | 200.0 mM | |
| pH | 7.3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
D. Witt, J. Dziemidowicz, J. Rachon, SupraBank 2024, Calix[4]arene phosphonates - recognition of amino alcohols in water (dataset). https://doi.org/10.34804/supra.20210928215 |
| Link: | https://doi.org/10.34804/supra.20210928215 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
D. Witt, J. Dziemidowicz, J. Rachon, Heteroatom Chem. 2004, 15, 155–161. |
| Link: | https://doi.org/10.1002/hc.10229 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-phenylethylamine hydrochloride (0.13793103448275862 M) and pCx4-OPr (0 — 0.27586206896551724 M).
Please sign in: customize the simulation by signing in to the SupraBank.
